Crystallography Open Database

Information card for entry 4121278

Preview

Coordinates	4121278.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H38 Cu F6 O5 P S4
Calculated formula	C18 H38 Cu F6 O5 P S4
Title of publication	Robust Affinity Standards for Cu(I) Biochemistry
Authors of publication	Pritha Bagchi; M. Thomas Morgan; John Bacsa; Christoph J. Fahrni
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	18549 - 18559
a	13.4862 ± 0.0005 Å
b	13.6947 ± 0.0004 Å
c	15.8096 ± 0.0005 Å
α	71.571 ± 0.001°
β	77.676 ± 0.001°
γ	78.885 ± 0.001°
Cell volume	2681.44 ± 0.15 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0454
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0959
Weighted residual factors for all reflections included in the refinement	0.1019
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179014 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/12.	4121278.cif
107468	2014-03-19	cif/ Adding structures of 4121278 via cif-deposit CGI script.	4121278.cif